2-[[(2R)-2-amino-3-benzhydrylsulfanylpropanoyl]amino]acetic acid

C18H20N2O3S — CID 91976170

IUPAC2-[[(2R)-2-amino-3-benzhydrylsulfanylpropanoyl]amino]acetic acid
SMILESN[C@@H](CSC(c1ccccc1)c1ccccc1)C(=O)NCC(=O)O
InChIInChI=1S/C18H20N2O3S/c19-15(18(23)20-11-16(21)22)12-24-17(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10,15,17H,11-12,19H2,(H,20,23)(H,21,22)/t15-/m0/s1
InChIKeyVCCOYCCXZHRTFQ-HNNXBMFYSA-N
MW344.44 g/mol
LogP2.04
Rot. Bonds8

About 2-[[(2R)-2-amino-3-benzhydrylsulfanylpropanoyl]amino]acetic acid

2-[[(2R)-2-amino-3-benzhydrylsulfanylpropanoyl]amino]acetic acid (PubChem CID 91976170) has the molecular formula C18H20N2O3S and a molecular weight of 344.44 g/mol. Its IUPAC name is 2-[[(2R)-2-amino-3-benzhydrylsulfanylpropanoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[(2R)-2-amino-3-benzhydrylsulfanylpropanoyl]amino]acetic acid
PubChem CID91976170
Molecular FormulaC18H20N2O3S
Molecular Weight344.44 g/mol
Exact Mass344.12
IUPAC Name2-[[(2R)-2-amino-3-benzhydrylsulfanylpropanoyl]amino]acetic acid
SMILESN[C@@H](CSC(c1ccccc1)c1ccccc1)C(=O)NCC(=O)O
InChIInChI=1S/C18H20N2O3S/c19-15(18(23)20-11-16(21)22)12-24-17(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10,15,17H,11-12,19H2,(H,20,23)(H,21,22)/t15-/m0/s1
InChIKeyVCCOYCCXZHRTFQ-HNNXBMFYSA-N
XLogP2.04
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 52.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (2S)-2-amino-3-benzhydrylsulfanylpropanoate;hydrochloride
CID 74889903
2-[[(2R)-2-amino-3-tritylsulfanylpropanoyl]amino]acetic acid
CID 21117270
2-[[2-[[2-[(2-benzhydrylsulfanylacetyl)amino]acetyl]amino]acetyl]amino]acetic acid
CID 10693882
2-[[(2R)-2-amino-3-pyren-1-ylsulfanylpropanoyl]amino]acetic acid
CID 91110719
2-[(3-methyl-2-phenylsulfanylbutanoyl)amino]acetic acid
CID 82042816
2-[[(2R)-2-amino-3-hydroxypropanoyl]amino]acetic acid
CID 3246319
2-[(2-amino-3-selanylpropanoyl)amino]acetic acid
CID 175250934
2-amino-5-[[1-(carboxymethylamino)-1-oxo-3-(3-oxo-1-phenylpropyl)sulfanylpropan-2-yl]amino]-5-oxopentanoic acid
CID 131838890
(2S)-2-amino-N-[2-(benzhydrylamino)-2-oxoethyl]-4-methylsulfanylbutanamide
CID 70070653
2-(benzhydrylcarbamoylamino)acetic acid
CID 43445708
2-[[(R)-fluoro(phenyl)methoxy]carbonylamino]acetic acid
CID 66789213
2-amino-5-[[1-(carboxymethylamino)-3-(2-hydroxy-2-methyl-3-oxo-1-phenylbutyl)sulfanyl-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
CID 131837537

Frequently Asked Questions

What is the IUPAC name of 2-[[(2R)-2-amino-3-benzhydrylsulfanylpropanoyl]amino]acetic acid?
The IUPAC name of 2-[[(2R)-2-amino-3-benzhydrylsulfanylpropanoyl]amino]acetic acid (CID 91976170) is 2-[[(2R)-2-amino-3-benzhydrylsulfanylpropanoyl]amino]acetic acid.
What is the SMILES notation for 2-[[(2R)-2-amino-3-benzhydrylsulfanylpropanoyl]amino]acetic acid?
The canonical SMILES for 2-[[(2R)-2-amino-3-benzhydrylsulfanylpropanoyl]amino]acetic acid is N[C@@H](CSC(c1ccccc1)c1ccccc1)C(=O)NCC(=O)O.
What is the InChIKey of 2-[[(2R)-2-amino-3-benzhydrylsulfanylpropanoyl]amino]acetic acid?
The InChIKey is VCCOYCCXZHRTFQ-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H20N2O3S/c19-15(18(23)20-11-16(21)22)12-24-17(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10,15,17H,11-12,19H2,(H,20,23)(H,21,22)/t15-/m0/s1.
What are the key properties of 2-[[(2R)-2-amino-3-benzhydrylsulfanylpropanoyl]amino]acetic acid?
2-[[(2R)-2-amino-3-benzhydrylsulfanylpropanoyl]amino]acetic acid has a molecular weight of 344.44 g/mol, XLogP of 2.04, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2R)-2-amino-3-benzhydrylsulfanylpropanoyl]amino]acetic acid is sourced from PubChem (CID 91976170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).